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Hemiphroside A

Hemiphroside A structure

CAS No:
165338-27-2
Formula:
C31H40O16
Chemical Name:
Hemiphroside A
Synonyms:
Hemiphroside A
Categories:
Natural Products > Phenols

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Hemiphroside A Basic Attributes

Molecular Weight：

668.64000

Exact Mass：

668.231628

Characteristics

PSA：

243.52000

XLogP3：

-0.24

Density：

1.53±0.1 g/cm3(Predicted)

Boiling Point：

905.4±65.0 °C(Predicted)

Flash Point：

287.6±27.8 °C

Refractive Index：

1.654

Computed Properties

Molecular Weight:668.6
XLogP3:-0.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:14
Exact Mass:668.23163518
Monoisotopic Mass:668.23163518
Topological Polar Surface Area:244
Heavy Atom Count:47
Complexity:985
Undefined Atom Stereocenter Count:10
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes